(5Z)-5-[(2-fluorophenyl)methylidene]-3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C15H15N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(2-fluorophenyl)methylidene]-3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2-fluorophenyl)methylidene]-3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H15N2O2FS |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2F)N(CN2CCCC2)C1=O |
| InChI | InChI=1S/C15H15FN2O2S/c16-12-6-2-1-5-11(12)9-13-14(19)18(15(20)21-13)10-17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8,10H2 |
| InChIK | DIMYAPMQMVHHMY-UHFFFAOYSA-N |
| TotalMolweight | 306.36 |
| Molweight | 306.36 |
| MonoisotopicMass | 306.083826 |
| CLogP | 2.3533 |
| CLogS | -3.739 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.71 |
| Relative PSA | 0.23062 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 3.3167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-fluorophenyl)methylidene]-3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(2-fluorophenyl)methylidene]-3-(pyrrolidin-1-ylmethyl)-1,3-thiazolidine-2,4-dione
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